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Basic Information
CAS No.: 679-69-6
Name: 1,2-DICHLORO-1,1,2-TRIFLUORO-4-IODOBUTANE
Article Data: 2
Molecular Structure:
Molecular Structure of 679-69-6 (1,2-DICHLORO-1,1,2-TRIFLUORO-4-IODOBUTANE)
Formula: C4H4Cl2F3I
Molecular Weight: 306.881
Synonyms: 1,2-Dichloro-1,1,2-trifluoro-4-iodobutane;1,2-Dichloro-4-iodo-1,1,2-trifluorobutane;
Density: 2.011 g/cm3
Boiling Point: 191.7 °C at 760 mmHg
Flash Point: 69.7 °C
Hazard Symbols: IrritantXi
PSA: 0.00000
LogP: 3.54770
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Specification

The Butane,1,2-dichloro-1,1,2-trifluoro-4-iodo-, with the CAS registry number 679-69-6, is also known as 1,2-Dichloro-4-iodo-1,1,2-trifluorobutane. This chemical's molecular formula is C4H4Cl2F3I and molecular weight is 306.88. What's more, both its IUPAC name and systematic name are the same which is called 1,2-Dichloro-1,1,2-trifluoro-4-iodobutane. In addition, it may cause inflammation to the skin or other mucous membranes.

Physical properties about Butane,1,2-dichloro-1,1,2-trifluoro-4-iodo- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 486.65; (6)ACD/BCF (pH 7.4): 486.65; (7)ACD/KOC (pH 5.5): 2918.17; (8)ACD/KOC (pH 7.4): 2918.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 43.67 cm3; (15)Molar Volume: 152.5 cm3; (16)Polarizability: 17.31×10-24 cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 2.011 g/cm3; (19)Flash Point: 69.7 °C; (20)Enthalpy of Vaporization: 41.04 kJ/mol; (21)Boiling Point: 191.7 °C at 760 mmHg; (22)Vapour Pressure: 0.705 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(Cl)C(Cl)(F)CCI
(2) InChI: InChI=1/C4H4Cl2F3I/c5-3(7,1-2-10)4(6,8)9/h1-2H2
(3) InChIKey: UKUOPLZDHNKUBO-UHFFFAOYAS